Basic information
- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1cccs1)O2- InChIKey
FFSDNHYYZHMFBV-UHFFFAOYSA-N- Molecular formula
- C19H20O2S
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- rac-3,4-dihydro-2,5,7,8-tetramethyl-2-[(2-thienyl) ethynyl]-2H-1-benzopyran-6ol
- IUPAC
- 2,5,7,8-tetramethyl-2-(2-thiophen-2-ylethynyl)-3,4-dihydrochromen-6-ol
Names & synonyms
SCHEMBL9467500FFSDNHYYZHMFBV-UHFFFAOYSA-Nrac-3,4-dihydro-2,5,7,8-tetramethyl-2-[(2-thienyl) ethynyl]-2H-1-benzopyran-6olrac-3,4-dihydro-2,5,7,8-tetramethyl-2-[(2-thienyl)ethynyl]-2H-1-benzopyran-6-ol
Database identifiers
- PubChem CID
- 9904883
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 478
Related reactions
4 records
Compound notes
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